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Beyond Loss Guidance: Using PDE Residuals as Spectral Attention in Diffusion Neural Operators

arXiv.org Machine Learning

Diffusion-based solvers for partial differential equations (PDEs) are often bottle-necked by slow gradient-based test-time optimization routines that use PDE residuals for loss guidance. They additionally suffer from optimization instabilities and are unable to dynamically adapt their inference scheme in the presence of noisy PDE residuals. To address these limitations, we introduce PRISMA (PDE Residual Informed Spectral Modulation with Attention), a conditional diffusion neural operator that embeds PDE residuals directly into the model's architecture via attention mechanisms in the spectral domain, enabling gradient-descent free inference. We show that PRISMA has competitive accuracy, at substantially lower inference costs, compared to previous methods across five benchmark PDEs especially with noisy observations, while using 10x to 100x fewer denoising steps, leading to 15x to 250x faster inference. Given the ubiquitous presence of partial differential equations (PDEs) in almost every scientific discipline, there is a rapidly growing literature on using neural networks for solving PDEs (Raissi et al., 2019a; Lu et al., 2019). This includes seminal works in operator learning methods such as the Fourier Neural Operator (FNO) Li et al. (2020) that learns resolution-independent mappings between function spaces of input parameters a and solution fields u. However, a major limitation of these methods is their reliance on complete and clean observations of either a or u, a condition rarely met in real-world applications where data is inherently noisy and sparse. The rise of generative models has inspired another class of methods for solving PDEs by modeling the joint distribution of a and u using diffusion-based backbones (Huang et al., 2024; Y ao et al., 2025; Lim et al., 2023; Shu et al., 2023; Bastek et al., 2024; Jacobsen et al., 2025). These methods offer two key advantages over operator learning methods: (i) they generate full posterior distributions of a and/or u, enabling principled uncertainty quantification crucial for ill-posed inverse problems, and (ii) they naturally accommodate sparse observations during inference using likelihood-based and PDE residual-based loss guidance, termed diffusion posterior sampling or test-time optimization.


Implicitly Normalized Online PCA: A Regularized Algorithm with Exact High-Dimensional Dynamics

arXiv.org Machine Learning

Many online learning algorithms, including classical online PCA methods, enforce explicit normalization steps that discard the evolving norm of the parameter vector. We show that this norm can in fact encode meaningful information about the underlying statistical structure of the problem, and that exploiting this information leads to improved learning behavior. Motivated by this principle, we introduce Implicitly Normalized Online PCA (INO-PCA), an online PCA algorithm that removes the unit-norm constraint and instead allows the parameter norm to evolve dynamically through a simple regularized update. We prove that in the high-dimensional limit the joint empirical distribution of the estimate and the true component converges to a deterministic measure-valued process governed by a nonlinear PDE. This analysis reveals that the parameter norm obeys a closed-form ODE coupled with the cosine similarity, forming an internal state variable that regulates learning rate, stability, and sensitivity to signal-to-noise ratio (SNR). The resulting dynamics uncover a three-way relationship between the norm, SNR, and optimal step size, and expose a sharp phase transition in steady-state performance. Both theoretically and experimentally, we show that INO-PCA consistently outperforms Oja's algorithm and adapts rapidly in non-stationary environments. Overall, our results demonstrate that relaxing norm constraints can be a principled and effective way to encode and exploit problem-relevant information in online learning algorithms.


High-dimensional Mean-Field Games by Particle-based Flow Matching

arXiv.org Machine Learning

Mean-field games (MFGs) study the Nash equilibrium of systems with a continuum of interacting agents, which can be formulated as the fixed-point of optimal control problems. They provide a unified framework for a variety of applications, including optimal transport (OT) and generative models. Despite their broad applicability, solving high-dimensional MFGs remains a significant challenge due to fundamental computational and analytical obstacles. In this work, we propose a particle-based deep Flow Matching (FM) method to tackle high-dimensional MFG computation. In each iteration of our proximal fixed-point scheme, particles are updated using first-order information, and a flow neural network is trained to match the velocity of the sample trajectories in a simulation-free manner. Theoretically, in the optimal control setting, we prove that our scheme converges to a stationary point sublinearly, and upgrade to linear (exponential) convergence under additional convexity assumptions. Our proof uses FM to induce an Eulerian coordinate (density-based) from a Lagrangian one (particle-based), and this also leads to certain equivalence results between the two formulations for MFGs when the Eulerian solution is sufficiently regular. Our method demonstrates promising performance on non-potential MFGs and high-dimensional OT problems cast as MFGs through a relaxed terminal-cost formulation.


Foundation Priors

arXiv.org Machine Learning

Foundation models, and in particular large language models, can generate highly informative responses, prompting growing interest in using these ''synthetic'' outputs as data in empirical research and decision-making. This paper introduces the idea of a foundation prior, which shows that model-generated outputs are not as real observations, but draws from the foundation prior induced prior predictive distribution. As such synthetic data reflects both the model's learned patterns and the user's subjective priors, expectations, and biases. We model the subjectivity of the generative process by making explicit the dependence of synthetic outputs on the user's anticipated data distribution, the prompt-engineering process, and the trust placed in the foundation model. We derive the foundation prior as an exponential-tilted, generalized Bayesian update of the user's primitive prior, where a trust parameter governs the weight assigned to synthetic data. We then show how synthetic data and the associated foundation prior can be incorporated into standard statistical and econometric workflows, and discuss their use in applications such as refining complex models, informing latent constructs, guiding experimental design, and augmenting random-coefficient and partially linear specifications. By treating generative outputs as structured, explicitly subjective priors rather than as empirical observations, the framework offers a principled way to harness foundation models in empirical work while avoiding the conflation of synthetic ''facts'' with real data.


Discriminative classification with generative features: bridging Naive Bayes and logistic regression

arXiv.org Machine Learning

We introduce Smart Bayes, a new classification framework that bridges generative and discriminative modeling by integrating likelihood-ratio-based generative features into a logistic-regression-style discriminative classifier. From the generative perspective, Smart Bayes relaxes the fixed unit weights of Naive Bayes by allowing data-driven coefficients on density-ratio features. From a discriminative perspective, it constructs transformed inputs as marginal log-density ratios that explicitly quantify how much more likely each feature value is under one class than another, thereby providing predictors with stronger class separation than the raw covariates. To support this framework, we develop a spline-based estimator for univariate log-density ratios that is flexible, robust, and computationally efficient. Through extensive simulations and real-data studies, Smart Bayes often outperforms both logistic regression and Naive Bayes. Our results highlight the potential of hybrid approaches that exploit generative structure to enhance discriminative performance.


An Approach to Variable Clustering: K-means in Transposed Data and its Relationship with Principal Component Analysis

arXiv.org Machine Learning

Abstract--Principal Component Analysis (PCA) and K-means constitute fundamental techniques in multivariate analysis. Although they are frequently applied independently or sequentially to cluster observations, the relationship between them, especially when K-means is used to cluster variables rather than observations, has been scarcely explored. This study seeks to address this gap by proposing an innovative method that analyzes the relationship between clusters of variables obtained by applying K-means on transposed data and the principal components of PCA. Our approach involves applying PCA to the original data and K-means to the transposed data set, where the original variables are converted into observations. The contribution of each variable cluster to each principal component is then quantified using measures based on variable loadings. This process provides a tool to explore and understand the clustering of variables and how such clusters contribute to the principal dimensions of variation identified by PCA. We analyze multiple data sets with varying variability structures (USArrests, Iris, Decathlon2) to show that the correspondence between clusters of variables and principal components depends on the data's inherent structure.


Thompson Sampling for Multi-Objective Linear Contextual Bandit

arXiv.org Machine Learning

We study the multi-objective linear contextual bandit problem, where multiple possible conflicting objectives must be optimized simultaneously. We propose \texttt{MOL-TS}, the \textit{first} Thompson Sampling algorithm with Pareto regret guarantees for this problem. Unlike standard approaches that compute an empirical Pareto front each round, \texttt{MOL-TS} samples parameters across objectives and efficiently selects an arm from a novel \emph{effective Pareto front}, which accounts for repeated selections over time. Our analysis shows that \texttt{MOL-TS} achieves a worst-case Pareto regret bound of $\widetilde{O}(d^{3/2}\sqrt{T})$, where $d$ is the dimension of the feature vectors, $T$ is the total number of rounds, matching the best known order for randomized linear bandit algorithms for single objective. Empirical results confirm the benefits of our proposed approach, demonstrating improved regret minimization and strong multi-objective performance.


Outcome-Aware Spectral Feature Learning for Instrumental Variable Regression

arXiv.org Machine Learning

We address the problem of causal effect estimation in the presence of hidden confounders using nonparametric instrumental variable (IV) regression. An established approach is to use estimators based on learned spectral features, that is, features spanning the top singular subspaces of the operator linking treatments to instruments. While powerful, such features are agnostic to the outcome variable. Consequently, the method can fail when the true causal function is poorly represented by these dominant singular functions. To mitigate, we introduce Augmented Spectral Feature Learning, a framework that makes the feature learning process outcome-aware. Our method learns features by minimizing a novel contrastive loss derived from an augmented operator that incorporates information from the outcome. By learning these task-specific features, our approach remains effective even under spectral misalignment. We provide a theoretical analysis of this framework and validate our approach on challenging benchmarks.


An Imbalance-Robust Evaluation Framework for Extreme Risk Forecasts

arXiv.org Machine Learning

Evaluating rare-event forecasts is challenging because standard metrics collapse as event prevalence declines. Measures such as F1-score, AUPRC, MCC, and accuracy induce degenerate thresholds -- converging to zero or one -- and their values become dominated by class imbalance rather than tail discrimination. We develop a family of rare-event-stable (RES) metrics whose optimal thresholds remain strictly interior as the event probability approaches zero, ensuring coherent decision rules under extreme rarity. Simulations spanning event probabilities from 0.01 down to one in a million show that RES metrics maintain stable thresholds, consistent model rankings, and near-complete prevalence invariance, whereas traditional metrics exhibit statistically significant threshold drift and structural collapse. A credit-default application confirms these results: RES metrics yield interpretable probability-of-default cutoffs (4-9%) and remain robust under subsampling, while classical metrics fail operationally. The RES framework provides a principled, prevalence-invariant basis for evaluating extreme-risk forecasts.


Infinitely divisible privacy and beyond I: resolution of the $s^2=2k$ conjecture

arXiv.org Machine Learning

Differential privacy is increasingly formalized through the lens of hypothesis testing via the robust and interpretable $f$-DP framework, where privacy guarantees are encoded by a baseline Blackwell trade-off function $f_{\infty} = T(P_{\infty}, Q_{\infty})$ involving a pair of distributions $(P_{\infty}, Q_{\infty})$. The problem of choosing the right privacy metric in practice leads to a central question: what is a statistically appropriate baseline $f_{\infty}$ given some prior modeling assumptions? The special case of Gaussian differential privacy (GDP) showed that, under compositions of nearly perfect mechanisms, these trade-off functions exhibit a central limit behavior with a Gaussian limit experiment. Inspired by Le Cam's theory of limits of statistical experiments, we answer this question in full generality in an infinitely divisible setting. We show that suitable composition experiments $(P_n^{\otimes n}, Q_n^{\otimes n})$ converge to a binary limit experiment $(P_{\infty}, Q_{\infty})$ whose log-likelihood ratio $L = \log(dQ_{\infty} / dP_{\infty})$ is infinitely divisible under $P_{\infty}$. Thus any limiting trade-off function $f_{\infty}$ is determined by an infinitely divisible law $P_{\infty}$, characterized by its Levy--Khintchine triplet, and its Esscher tilt defined by $dQ_{\infty}(x) = e^{x} dP_{\infty}(x)$. This characterizes all limiting baseline trade-off functions $f_{\infty}$ arising from compositions of nearly perfect differentially private mechanisms. Our framework recovers GDP as the purely Gaussian case and yields explicit non-Gaussian limits, including Poisson examples. It also positively resolves the empirical $s^2 = 2k$ phenomenon observed in the GDP paper and provides an optimal mechanism for count statistics achieving asymmetric Poisson differential privacy.